SCHEMBL2579853

SCHEMBL2579853

COc1ccc(C(=O)N(N)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.57
CA2 P00918 6/20 0.57
PARP10 Q53GL7 2/20 0.57
PARP1 P09874 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PLK1 P53350 1/20 0.48
MAPT P10636 2/20 0.47
GSK3B P49841 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10049412 0.82 CA1 (0.59) CA1CA2PARP10PARP1PARP2
SCHEMBL30527863 0.79 CES2 (0.64) CA1CA2PARP10PARP1PARP2
SCHEMBL28183213 0.78 CES2 (0.65) CA1CA2PARP10PARP1PARP2
SCHEMBL11212295 0.78 CES2 (0.61) CA1CA2PARP10PARP1PARP2
SCHEMBL5858910 0.78 HPGD (0.62) CA1CA2PARP10PARP1PARP2
SCHEMBL1659309 0.78 HPGD (0.73) CA1CA2PARP10PARP1PARP2
SCHEMBL27568905 0.77 CA1 (0.72) CA1CA2PARP10PARP1PARP2
SCHEMBL8464944 0.76 CES2 (0.59) CA1CA2PARP10PARP1PARP2
SCHEMBL7865528 0.75 KDM4E (0.69) CA1CA2PARP10PARP1PARP2
Hydrochloric Acid SCHEMBL11836563 0.75 HPGD (0.48) CA1CA2PARP10PARP1PARP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CA1 3287/4885CA2 1940/4885PARP10 2111/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.